2-butyl-3-[(4-carboxyphenyl)methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(4-carboxyphenyl)methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxyphenyl)methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxyphenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxybenzyl)imidazole-4-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-2-3-4-14-17-9-13(16(21)22)18(14)10-11-5-7-12(8-6-11)15(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,21,22)